SCHEMBL28969100

SCHEMBL28969100

CCCCCCCCCCCCCCCN1CC(NC(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
CTSK P43235 2/20 0.43
DRD2 P14416 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
BTK Q06187 1/20 0.37
GBA1 P04062 1/20 0.37
BRD4 O60885 2/20 0.36
CNR2 P34972 1/20 0.36
MERTK Q12866 1/20 0.36
KCNA3 P22001 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25022225 1.00 L3MBTL1 (0.44) L3MBTL1CTSKDRD2CA1CA2
SCHEMBL23950503 0.81 DRD2 (0.49) L3MBTL1CTSKDRD2CA1CA2
SCHEMBL31292043 0.80 SCN9A (0.49) L3MBTL1CTSKDRD2CA1CA2
SCHEMBL25593840 0.76 KMT2A (0.59) L3MBTL1DRD2ALDH1A1KMT2AKCNA3
SCHEMBL8881975 0.75 L3MBTL1 (0.50) L3MBTL1CTSKDRD2CA1CA2
SCHEMBL26814285 0.75 KCNA3 (0.53) CTSKDRD2MERTKKCNA3
SCHEMBL28969091 0.74 ALDH1A1 (0.39) L3MBTL1ALDH1A1GBA1CNR2
SCHEMBL30952429 0.74 CTSK (0.43) L3MBTL1CTSKDRD2CA1CA2
SCHEMBL25329352 0.74 TDP1 (0.46) DRD2CA1CA2KMT2A
SCHEMBL13434254 0.73 CYP3A4 (0.47) L3MBTL1ALDH1A1KMT2ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed